HRID203435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID6605254

4-[[[(2-Methylphenyl)amino]carbonyl]amino]benzeneacetic acid

C16H16N2O3

HCID18682362

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1cc(C(CC(C)C)NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)no1

HCID18682368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d81c00ad9004b65bd86260f2652240c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BrH:52].[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH3:53][O:54][C:55]([CH2:56][CH2:57][c:58]1[cH:59][c:60]([CH:63]([CH2:64][CH:65]([CH3:66])[CH3:67])[NH2:68])[n:61][o:62]1)=[O:69].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:70][CH2:71][Cl:72].[OH2:73].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1.[c:1]1([CH3:21])[c:2]([NH:7][C:8]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]2)=[O:20])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:21])[c:2]([NH:7][C:8]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:19])[NH:68][CH:63]([c:60]3[cH:59][c:58]([CH2:57][CH2:56][C:55]([O:54][CH3:53])=[O:69])[o:62][n:61]3)[CH2:64][CH:65]([CH3:66])[CH3:67])[cH:14][cH:15]2)=[O:20])[cH:3][cH:4][cH:5][cH:6]1